Geometry & MOs

Info

ID:	310253
PubChem CID:	126577406
Reduced:	O2N3C28H39 (1)
Stoich.:	A2B3C28D39 (1)
Weight, g/mol:	347.246044
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	7.37
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-1-amino-3-[6-(2-propoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)NCCCN3CCC(CC3)N4CCCCC4)OC

DOS

IR

Vibrations